2-benzylimino-1,2-diphenylethanone

C21H17NO — CID 12943333

IUPAC2-benzylimino-1,2-diphenylethanone
SMILESO=C(/C(=N/Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO/c23-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22-16-17-10-4-1-5-11-17/h1-15H,16H2/b22-20+
InChIKeyITWXMSXAVAQNEQ-LSDHQDQOSA-N
MW299.37 g/mol
LogP4.56
Rot. Bonds5

About 2-benzylimino-1,2-diphenylethanone

2-benzylimino-1,2-diphenylethanone (PubChem CID 12943333) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-benzylimino-1,2-diphenylethanone.

Molecular Properties

Compound Name2-benzylimino-1,2-diphenylethanone
PubChem CID12943333
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name2-benzylimino-1,2-diphenylethanone
SMILESO=C(/C(=N/Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO/c23-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22-16-17-10-4-1-5-11-17/h1-15H,16H2/b22-20+
InChIKeyITWXMSXAVAQNEQ-LSDHQDQOSA-N
XLogP4.56
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-1,2-diphenylethanone?
The IUPAC name of 2-benzylimino-1,2-diphenylethanone (CID 12943333) is 2-benzylimino-1,2-diphenylethanone.
What is the SMILES notation for 2-benzylimino-1,2-diphenylethanone?
The canonical SMILES for 2-benzylimino-1,2-diphenylethanone is O=C(/C(=N/Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzylimino-1,2-diphenylethanone?
The InChIKey is ITWXMSXAVAQNEQ-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H17NO/c23-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22-16-17-10-4-1-5-11-17/h1-15H,16H2/b22-20+.
What are the key properties of 2-benzylimino-1,2-diphenylethanone?
2-benzylimino-1,2-diphenylethanone has a molecular weight of 299.37 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-1,2-diphenylethanone is sourced from PubChem (CID 12943333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).